2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol

C14H15ClN2O2 — CID 65484698

IUPAC2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(C)ccnc2Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-5-6-16-14(15)13(9)17-8-10-7-11(19-2)3-4-12(10)18/h3-7,17-18H,8H2,1-2H3
InChIKeyKQXNWKNIHHXLKA-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.37
Rot. Bonds4

About 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol

2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol (PubChem CID 65484698) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
PubChem CID65484698
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(C)ccnc2Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9-5-6-16-14(15)13(9)17-8-10-7-11(19-2)3-4-12(10)18/h3-7,17-18H,8H2,1-2H3
InChIKeyKQXNWKNIHHXLKA-UHFFFAOYSA-N
XLogP3.37
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
CID 60943377
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol (CID 65484698) is 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2c(C)ccnc2Cl)c1.
What is the InChIKey of 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol?
The InChIKey is KQXNWKNIHHXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-5-6-16-14(15)13(9)17-8-10-7-11(19-2)3-4-12(10)18/h3-7,17-18H,8H2,1-2H3.
What are the key properties of 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol?
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol has a molecular weight of 278.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 65484698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).